CID 22406487

Tert-butyl n-(4-sulfanylbutyl)carbamate

Structural Information

Molecular Formula
C9H19NO2S
SMILES
CC(C)(C)OC(=O)NCCCCS
InChI
InChI=1S/C9H19NO2S/c1-9(2,3)12-8(11)10-6-4-5-7-13/h13H,4-7H2,1-3H3,(H,10,11)
InChIKey
PQQDXPZRVKVGDZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-sulfanylbutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

205.11365 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12093 149.0
[M+Na]+ 228.10287 154.5
[M-H]- 204.10637 149.1
[M+NH4]+ 223.14747 168.5
[M+K]+ 244.07681 153.4
[M+H-H2O]+ 188.11091 143.6
[M+HCOO]- 250.11185 165.4
[M+CH3COO]- 264.12750 187.0
[M+Na-2H]- 226.08832 150.9
[M]+ 205.11310 153.4
[M]- 205.11420 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe